Glycoside
GD154231
Name:
9-{[4-(dimethylamino)-3-hydroxy-5-{[4-hydroxy-4,6-dimethyl-5-(propanoyloxy)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-(propanoyloxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoateFormula:
C44H71O17NSmiles:
CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C(CC=O)CC1CAglycone:
CCC(=O)O.CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(O)C(CC=O)CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 14 |
| MolWt: | 886.04 | Num_heavy_atoms: | 62 |
| TPSA: | 224.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD47441
Formula: C26H40O10
Smiles:
CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(=O)CC)C(OC)C(O)C(CC=O)CC1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 137.96 | NumAromaticRings: | 0 |
